Stabilization calculations of resonance energies for chemical reactions
- 15 February 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (4), 1790-1794
- https://doi.org/10.1063/1.443218
Abstract
Resonance energies for chemically reactive systems are computed from square‐integrable wave functions, using both SCF and CI trial functions. We consider three mass combinations (H+FH, H+H2, and H+MuH) and compare to accurate scattering calculations for model potential energy surfaces.Keywords
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